⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL12384499 | 0.81 | TLR9 (0.31) | — | |
| SCHEMBL17694856 | 0.78 | — | — | |
| SCHEMBL18309980 | 0.78 | — | — | |
| SCHEMBL26177765 | 0.75 | MAPT (0.30) | — | |
| SCHEMBL19046851 | 0.72 | — | — | |
| SCHEMBL24890432 | 0.71 | — | — | |
| SCHEMBL25897347 | 0.70 | — | — | |
| SCHEMBL25897349 | 0.70 | — | — | |
| SCHEMBL25484287 | 0.70 | — | — | |
| SCHEMBL31222538 | 0.70 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9822119-B2 | Inhibitors of lysine specific demethylase-1 | CELGENE QUANTICEL RESEARCH, INC. (US) | 2017-11-21 | — | — | US | disclosed |
| US-20160108046-A1 | INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 | CELGENE QUANTICEL RESEARCH, INC. | 2016-04-21 | — | — | US | disclosed |